General Information of the Compound
| Compound ID |
CP0549264
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| Compound Name |
US11304929, Example 01-023
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| Structure |
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| Formula |
C21H21Cl2N3O6S
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| Molecular Weight |
514.387
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(Cl)c(Cl)c(C)nc2n1C
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| InChI |
InChI=1S/C21H21Cl2N3O6S/c1-11-18(22)19(23)14-8-16(26(2)20(14)24-11)21(29)25-15(9-27)12-4-6-13(7-5-12)33(30,31)10-17(28)32-3/h4-8,15,27H,9-10H2,1-3H3,(H,25,29)/t15-/m1/s1
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| InChIKey |
XRHRFWQKBFYFCZ-OAHLLOKOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound